4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol

C176H220BClFN11O7 — CID 161189493

IUPAC4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol
SMILESCC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc2ccccc12.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)cc2cccnc12.CC(C)(C)c1ccccc1C1CC1.COc1cc(C(C)(C)C)c2ccccc2c1.COc1ccc2ccccc2c1C(C)(C)C.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C
InChIInChI=1S/C20H27BO2.2C15H18O.2C14H16O.C13H15NO.2C13H17N.C13H18.2C12H16N2.C11H13ClN2.C11H13FN2/c1-18(2,3)17-13-15(12-14-10-8-9-11-16(14)17)21-22-19(4,5)20(6,7)23-21;1-15(2,3)14-10-12(16-4)9-11-7-5-6-8-13(11)14;1-15(2,3)14-12-8-6-5-7-11(12)9-10-13(14)16-4;1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-13(2,3)12-7-5-4-6-11(12)10-8-9-10;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9/h8-13H,1-7H3;2*5-10H,1-4H3;2*4-9,15H,1-3H3;4-8,15H,1-3H3;2*5-8,14H,1-4H3;4-7,10H,8-9H2,1-3H3;2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14)
InChIKeyUTNIATUWIPXMAB-UHFFFAOYSA-N
MW2667.03 g/mol
LogP47.91
Rot. Bonds4

About 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol

4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol (PubChem CID 161189493) has the molecular formula C176H220BClFN11O7 and a molecular weight of 2667.03 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol
PubChem CID161189493
Molecular FormulaC176H220BClFN11O7
Molecular Weight2667.03 g/mol
Exact Mass2664.70
IUPAC Name4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol
SMILESCC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc2ccccc12.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)cc2cccnc12.CC(C)(C)c1ccccc1C1CC1.COc1cc(C(C)(C)C)c2ccccc2c1.COc1ccc2ccccc2c1C(C)(C)C.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C
InChIInChI=1S/C20H27BO2.2C15H18O.2C14H16O.C13H15NO.2C13H17N.C13H18.2C12H16N2.C11H13ClN2.C11H13FN2/c1-18(2,3)17-13-15(12-14-10-8-9-11-16(14)17)21-22-19(4,5)20(6,7)23-21;1-15(2,3)14-10-12(16-4)9-11-7-5-6-8-13(11)14;1-15(2,3)14-12-8-6-5-7-11(12)9-10-13(14)16-4;1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-13(2,3)12-7-5-4-6-11(12)10-8-9-10;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9/h8-13H,1-7H3;2*5-10H,1-4H3;2*4-9,15H,1-3H3;4-8,15H,1-3H3;2*5-8,14H,1-4H3;4-7,10H,8-9H2,1-3H3;2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14)
InChIKeyUTNIATUWIPXMAB-UHFFFAOYSA-N
XLogP47.91
TPSA256.80 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002667.03
LogP ≤ 547.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol with MolForge

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Related Compounds

6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol
CID 157316304
but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;1-methoxy-3-methylbenzene;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 157457266
but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;4-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 157534800
but-2-yn-1-ol;3-chloro-5-methylphenol;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;1-methoxy-3-methylbenzene;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159093761
butan-1-ol;but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;3-methylaniline;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159181744
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
CID 159305167
butan-1-ol;but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2,3-dihydro-1H-indole;3,6-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;3-methylaniline;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159564197
but-2-yn-1-ol;1-chloro-3,5-dimethylbenzene;3,6-dimethyl-2H-indazole;bis(1-fluoro-3,5-dimethylbenzene);2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;5-fluoro-2-methylphenol;3-methylaniline;4-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;tris(1,3-xylene)
CID 159831630
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
CID 160046120
6-chloro-7-methyl-4-propan-2-yl-1H-indole;7-chloro-4-propan-2-yl-1H-indazole;7-chloro-4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol
CID 160458929
4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-fluorobenzene;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;4-tert-butylnaphthalen-2-ol
CID 160593872
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
CID 160893202

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol?
The IUPAC name of 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol (CID 161189493) is 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol.
What is the SMILES notation for 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol?
The canonical SMILES for 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol is CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc2ccccc12.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)cc2cccnc12.CC(C)(C)c1ccccc1C1CC1.COc1cc(C(C)(C)C)c2ccccc2c1.COc1ccc2ccccc2c1C(C)(C)C.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol?
The InChIKey is UTNIATUWIPXMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BO2.2C15H18O.2C14H16O.C13H15NO.2C13H17N.C13H18.2C12H16N2.C11H13ClN2.C11H13FN2/c1-18(2,3)17-13-15(12-14-10-8-9-11-16(14)17)21-22-19(4,5)20(6,7)23-21;1-15(2,3)14-10-12(16-4)9-11-7-5-6-8-13(11)14;1-15(2,3)14-12-8-6-5-7-11(12)9-10-13(14)16-4;1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-13(2,3)12-7-5-4-6-11(12)10-8-9-10;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9/h8-13H,1-7H3;2*5-10H,1-4H3;2*4-9,15H,1-3H3;4-8,15H,1-3H3;2*5-8,14H,1-4H3;4-7,10H,8-9H2,1-3H3;2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14).
What are the key properties of 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol?
4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol has a molecular weight of 2667.03 g/mol, XLogP of 47.91, 4 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol is sourced from PubChem (CID 161189493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).